SCHEMBL13617661

SCHEMBL13617661

CCCCOc1ccc([C@@H](O)CNCCc2ccc(Nc3ccc(OCC)cc3)cc2)cc1NC=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.62
▸ ADRB1 P08588 9/20 0.62
▸ ADRB3 P13945 7/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13618087 0.88 ADRB2 (0.69) ADRB2ADRB1ADRB3
SCHEMBL3838033 0.87 ADRB2 (0.79) ADRB2ADRB1ADRB3
SCHEMBL3838751 0.87 ADRB2 (0.79) ADRB2ADRB1ADRB3
SCHEMBL3838029 0.87 ADRB2 (0.79) ADRB2ADRB1ADRB3
SCHEMBL13892808 0.86 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL13617395 0.85 ADRB2 (0.79) ADRB2ADRB1ADRB3
SCHEMBL13617678 0.85 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL13617672 0.84 ADRB2 (0.51) ADRB2ADRB1ADRB3
SCHEMBL13892875 0.82 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL13617642 0.82 ADRB2 (0.52) ADRB2ADRB1ADRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 — — EP disclosed
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